SCHEMBL8539711

SCHEMBL8539711

C[C@@H]1CCN(C(=O)O)[C@@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ACE P12821 5/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
REN P00797 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8539717 1.00 ATM (0.44) ATMACEACHEALDH1A1NPC1
SCHEMBL8300088 0.85 EPHX1 (0.36) ATMACHEALDH1A1NPC1
SCHEMBL8300090 0.85 EPHX1 (0.36) ATMACHEALDH1A1NPC1
SCHEMBL2016589 0.83 ALDH1A1 (0.35) ATMACHEALDH1A1NPC1
SCHEMBL9258703 0.82 RIPK1 (0.44) ATMACELMNACYP2C19HSD17B10
SCHEMBL9258699 0.82 RIPK1 (0.44) ATMACELMNACYP2C19HSD17B10
SCHEMBL15355368 0.82 ATM (0.50) ATMACE
SCHEMBL28022268 0.82 ATM (0.50) ATMACE
SCHEMBL5319493 0.82 ATM (0.50) ATMACE
SCHEMBL26604816 0.82 ATM (0.50) ATMACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565396-B1 1-[2-(arylsulfonylamino)-1-oxoethyl]piperidine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1998-01-07 EP disclosed
EP-0565396-A1 1-(2-arylsulfonylamino)-1-oxoethyl)-piperidine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1993-10-13 EP disclosed